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root/OpenMD/branches/development/src/io/Globals.hpp
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Comparing trunk/src/io/Globals.hpp (file contents):
Revision 586 by gezelter, Wed Sep 7 20:46:46 2005 UTC vs.
Revision 603 by chrisfen, Fri Sep 16 16:07:39 2005 UTC

# Line 113 | Line 113 | class Globals{
113    int    getUseInitXSstate( void )  { return useInitXSstate; }
114    double getOrthoBoxTolerance(void) { return orthoBoxTolerance; }
115    int    getPBC( void )             { return usePBC; }
116 –  int    getUseRF( void )           { return useRF; }
116    char*  getMixingRule( void)       { return mixingRule; }
117    double getZconsTime(void)         { return zcons_time; }
118    double getZconsTol(void)          { return zcons_tol; }
# Line 141 | Line 140 | class Globals{
140    double getOmegaSpringConst(void)  { return therm_int_omega_spring; }
141    double getSurfaceTension(void)    { return surface_tension; }
142    bool   getPrintPressureTensor(void) { return print_pressure_tensor;}
143 <  bool   getUseUndampedWolf(void)   { return useUndampedWolf; }
144 <  bool   getUseDampedWolf(void)     { return useDampedWolf; }
143 >  char*  getElectrostaticSummationMethod(void) { return electrostaticSummationMethod; }
144 >  double getDampingAlpha(void)      { return dampingAlpha; }
145    char*  getCutoffPolicy(void)      { return cutoffPolicy; }
146    
147    short int haveDt( void )            { return have_dt; }
# Line 186 | Line 185 | class Globals{
185    short int haveMinLSTol(void)        { return have_minimizer_ls_tol; }
186    short int haveMinLSMaxIter(void)    { return have_minimizer_ls_maxiteration;}
187    short int haveThermIntLambda(void)  { return have_thermodynamic_integration_lambda; }
188 <  short int haveThermIntK(void)    { return have_thermodynamic_integration_k; }
188 >  short int haveThermIntK(void)       { return have_thermodynamic_integration_k; }
189    short int haveForceFieldVariant(void)  { return have_forcefield_variant; }
190    short int haveForceFieldFileName(void) { return have_forcefield_filename; }
191    short int haveDistSpringConst(void)    { return have_dist_spring_constant; }
# Line 194 | Line 193 | class Globals{
193    short int haveOmegaSpringConst(void)   { return have_omega_spring_constant; }
194    short int haveSurfaceTension(void)     { return have_surface_tension; }
195    short int havePrintPressureTensor(void) {return have_print_pressure_tensor;}
196 +  short int haveElectrostaticSummationMethod(void) {return have_electro_sum_method;}
197 +  short int haveDampingAlpha(void)       { return have_damping_alpha; }
198    short int haveCutoffPolicy(void)       { return have_cutoff_policy; }
199  
200    /* other accessors */
# Line 242 | Line 243 | class Globals{
243    int useInitTime;
244    int useInitXSstate;
245    int usePBC;
245 –  int useRF;
246    double q_mass;
247    double tau_thermostat;
248    double tau_barostat;
# Line 273 | Line 273 | class Globals{
273    double therm_int_omega_spring;
274    double surface_tension;
275    bool print_pressure_tensor;
276 <  bool useUndampedWolf;
277 <  bool useDampedWolf;
276 >  char electrostaticSummationMethod[100];
277 >  double dampingAlpha;
278    char cutoffPolicy[100];
279    
280    //required arguments
# Line 305 | Line 305 | class Globals{
305    short int have_omega_spring_constant;
306    short int have_surface_tension;
307    short int have_print_pressure_tensor;
308 +  short int have_electro_sum_method;
309 +  short int have_damping_alpha;
310    short int have_cutoff_policy;
311   };
312  

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